1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethanone

C9H13N3OS — CID 166760968

IUPAC1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethanone
SMILESCC(=O)c1nc(N2CCCCC2)ns1
InChIInChI=1S/C9H13N3OS/c1-7(13)8-10-9(11-14-8)12-5-3-2-4-6-12/h2-6H2,1H3
InChIKeyDRBYAILSYIBBFF-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.73
Rot. Bonds2

About 1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethanone

1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethanone (PubChem CID 166760968) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is 1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethanone
PubChem CID166760968
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC Name1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethanone
SMILESCC(=O)c1nc(N2CCCCC2)ns1
InChIInChI=1S/C9H13N3OS/c1-7(13)8-10-9(11-14-8)12-5-3-2-4-6-12/h2-6H2,1H3
InChIKeyDRBYAILSYIBBFF-UHFFFAOYSA-N
XLogP1.73
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-Methyl-1,2,4-thiadiazol-5-yl)piperidin-4-one
CID 59258510
1-(3-Ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-one
CID 59433760
1-(5-Piperidin-1-yl-1,2,4-thiadiazol-3-yl)propan-2-one
CID 89752796
1-(3-Propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-one
CID 65272111
1-(3-Propyl-1,2,4-thiadiazol-5-yl)piperidin-4-one
CID 65272113
1-(3-Tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-one
CID 65272166
1-(3-Propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-one
CID 81716147
1-(3-Methyl-1,2,4-thiadiazol-5-yl)piperidin-3-one
CID 81716597
1-(3-Tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-3-one
CID 81716783
1-(3-Ethyl-1,2,4-thiadiazol-5-yl)piperidin-3-one
CID 81716787
1-(3-Propyl-1,2,4-thiadiazol-5-yl)piperidin-3-one
CID 81717151
2-[3-(4-Oxopiperidin-1-yl)-1,2,4-thiadiazol-5-yl]acetonitrile
CID 96606458

Frequently Asked Questions

What is the IUPAC name of 1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethanone?
The IUPAC name of 1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethanone (CID 166760968) is 1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethanone.
What is the SMILES notation for 1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethanone?
The canonical SMILES for 1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethanone is CC(=O)c1nc(N2CCCCC2)ns1.
What is the InChIKey of 1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethanone?
The InChIKey is DRBYAILSYIBBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS/c1-7(13)8-10-9(11-14-8)12-5-3-2-4-6-12/h2-6H2,1H3.
What are the key properties of 1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethanone?
1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethanone has a molecular weight of 211.29 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethanone is sourced from PubChem (CID 166760968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).